N-(2-cyanoethyl)-N-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N5O+2 MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H23N5O/c21-10-6-12-25(18-7-2-1-3-8-18)20(26)17-23-13-15-24(16-14-23)19-9-4-5-11-22-19/h1-5,7-9,11H,6,12-17H2/p+2